SCHEMBL21790806

SCHEMBL21790806

CCCC(C)(C)Nc1ccc(OC)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12403870 0.80 RAB9A (0.42) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL21790489 0.80 KMT2A (0.46) GAASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL18893410 0.74 GAA (0.44) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL3319344 0.74 GAA (0.47) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL21790490 0.74 PSIP1 (0.44) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL19987450 0.73 KIF11 (0.49) KIF11ALDH1A1
SCHEMBL3117689 0.71 RAB9A (0.45) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL21790800 0.70 KMT2A (0.43) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL21790748 0.70 TAS1R3 (0.40) RAB9ALMNA
SCHEMBL20156691 0.70 TSHR (0.47) GAASMN1; SMN2ALDH1A1MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 KIF11 2819/4885RAB9A 3778/4885GAA 4358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.